1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone

C13H18N2O2 — CID 102983816

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
SMILESN[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C13H18N2O2/c14-11-4-2-6-15(9-11)13(17)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,16H,2,4,6,8-9,14H2/t11-/m1/s1
InChIKeyWVGCJAQTXDPMLN-LLVKDONJSA-N
MW234.30 g/mol
LogP0.88
Rot. Bonds2

About 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone

1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone (PubChem CID 102983816) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
PubChem CID102983816
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
SMILESN[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C13H18N2O2/c14-11-4-2-6-15(9-11)13(17)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,16H,2,4,6,8-9,14H2/t11-/m1/s1
InChIKeyWVGCJAQTXDPMLN-LLVKDONJSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
CID 70734679
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 119378819
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
1-(3-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 61297761
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
CID 119410199

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone (CID 102983816) is 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone is N[C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
The InChIKey is WVGCJAQTXDPMLN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-4-2-6-15(9-11)13(17)8-10-3-1-5-12(16)7-10/h1,3,5,7,11,16H,2,4,6,8-9,14H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone?
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 102983816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).